N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine

C12H27NO2 — CID 103181104

IUPACN-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine
SMILESCCNC(C)C(C)CCOCCCOC
InChIInChI=1S/C12H27NO2/c1-5-13-12(3)11(2)7-10-15-9-6-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyZTHOVRWGRFJHHR-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds10

About N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine

N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine (PubChem CID 103181104) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine
PubChem CID103181104
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine
SMILESCCNC(C)C(C)CCOCCCOC
InChIInChI=1S/C12H27NO2/c1-5-13-12(3)11(2)7-10-15-9-6-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyZTHOVRWGRFJHHR-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-methoxy-3-methylpentan-2-amine
CID 60995312
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
CID 103183286
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
N-[2-(3-methoxypropoxy)ethyl]hexan-2-amine
CID 103178889
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
1-butoxybutane;1-methoxy-3-(3-methoxypropoxy)propane
CID 174886787
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
2-[2-(3-methoxypropoxy)ethyl]-3-methyl-N-propylbutan-1-amine
CID 103183296

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine?
The IUPAC name of N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine (CID 103181104) is N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine?
The canonical SMILES for N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine is CCNC(C)C(C)CCOCCCOC.
What is the InChIKey of N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine?
The InChIKey is ZTHOVRWGRFJHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-13-12(3)11(2)7-10-15-9-6-8-14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine?
N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methoxypropoxy)-3-methylpentan-2-amine is sourced from PubChem (CID 103181104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).